%chk=000003904.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000003904

-2 1
O 7.855355 -0.402169 1.381801
O 5.687833 -3.575594 0.556794
O -3.646552 -2.259236 -1.557258
O -4.410974 2.124295 -1.535190
O -5.714499 1.228929 -3.108184
O -9.932067 0.620593 0.437471
O -8.235316 1.661068 1.463915
N 5.359580 -1.352554 0.266400
N 3.972796 0.614161 -1.311094
N 1.953478 -1.932478 1.591232
N 5.379709 2.306753 -0.469887
N 7.393298 1.776715 0.835695
N -3.959853 -0.294583 -0.444613
N 6.791044 4.022041 0.368833
C 3.904122 -1.537933 0.046146
C 3.482985 -0.784410 -1.240272
C 3.111701 -1.058628 1.294275
C 5.835151 -0.004376 0.187869
C 5.085482 0.958900 -0.502195
C 7.084053 0.400479 0.851057
C 6.179988 -2.443757 0.518335
C 0.722469 -1.775736 0.937409
C 6.527185 2.629717 0.239645
C -0.172982 -2.878627 0.909868
C 0.310345 -0.535368 0.391531
C -5.297498 -0.054877 -1.022694
C -1.847951 -1.493123 -0.172755
C -6.328593 0.291745 0.068508
C -1.436656 -2.729319 0.355748
C -0.963611 -0.404392 -0.149583
C -3.197693 -1.411303 -0.797184
C -7.753195 0.309613 -0.465088
C -5.208805 1.103913 -2.018756
C -8.735670 0.925945 0.592327
H 3.726177 -2.641554 -0.110153
H 2.379569 -0.815289 -1.358477
H 3.920489 -1.321413 -2.117393
H 2.790473 -0.000608 1.185055
H 3.777926 -1.073075 2.192248
H 3.248865 1.327633 -1.380923
H 2.227235 -2.893023 1.811674
H -4.392902 2.907308 -2.139414
H 7.251039 -2.221600 0.693463
H 0.129174 -3.837231 1.319665
H 0.984135 0.318173 0.414186
H -5.626368 -0.973140 -1.595521
H -6.111075 1.277932 0.540213
H -6.254135 -0.442201 0.895872
H -2.123272 -3.578851 0.317147
H -1.271158 0.554914 -0.571183
H -3.623209 0.406501 0.211097
H -7.850265 0.914482 -1.379941
H -8.113359 -0.698319 -0.718014
H 6.400406 4.596702 -0.364891
H 7.755193 4.244850 0.580484


%chk=000003904-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003904

-2 1
O 7.852587 0.325615 1.453693
O 6.188631 -3.336160 1.095745
O -4.046901 -2.556182 -1.042631
O -4.108357 2.116508 -1.802394
O -5.783191 1.261372 -3.160464
O -9.643746 1.549652 0.797288
O -7.616687 2.428651 1.578284
N 5.507931 -1.188677 0.444767
N 3.564604 0.395565 -0.891583
N 2.068246 -2.640332 1.089033
N 4.767523 2.374444 -0.485751
N 6.905735 2.343237 0.718290
N -3.835591 -0.282668 -0.574283
N 5.953414 4.344349 -0.040259
C 4.194877 -1.765970 0.050928
C 3.645658 -1.036238 -1.190005
C 3.209109 -1.732450 1.257619
C 5.700368 0.242849 0.312982
C 4.709749 1.009528 -0.344225
C 6.876256 0.943214 0.861940
C 6.441633 -2.083773 0.962238
C 0.780775 -2.322019 0.663742
C 5.878916 2.951867 0.079553
C -0.194525 -3.366495 0.558509
C 0.375672 -0.993665 0.322530
C -5.181624 0.074025 -1.053655
C -1.920431 -1.770498 -0.170169
C -6.111000 0.564106 0.111750
C -1.504021 -3.093199 0.143224
C -0.950533 -0.735422 -0.074946
C -3.336157 -1.575358 -0.628783
C -7.583416 0.805371 -0.267684
C -5.087213 1.148908 -2.127780
C -8.350741 1.668859 0.816513
H 4.390701 -2.828321 -0.187840
H 2.640367 -1.426350 -1.429119
H 4.318574 -1.252238 -2.051469
H 2.855412 -0.701212 1.421900
H 3.776715 -2.042932 2.153457
H 3.012183 1.009643 -1.493827
H 2.261706 -3.627997 1.260341
H -4.146555 2.842718 -2.480660
H 7.384195 -1.585450 1.253859
H 0.097544 -4.395646 0.808073
H 1.102466 -0.174789 0.349344
H -5.609267 -0.833186 -1.513107
H -5.726332 1.503777 0.554042
H -6.046262 -0.210602 0.899745
H -2.244176 -3.894451 0.043054
H -1.208120 0.294348 -0.354262
H -3.285336 0.467126 -0.154009
H -7.657431 1.366187 -1.222669
H -8.133786 -0.142551 -0.415768
H 5.154113 4.844885 -0.415367
H 6.715338 4.816623 0.435559


